spencerericksen Goto Github PK
Name: Spencer S. Ericksen
Type: User
Company: University of Wisconsin-Madison
Bio: the lips acquire stains
Location: Madison, WI
Name: Spencer S. Ericksen
Type: User
Company: University of Wisconsin-Madison
Bio: the lips acquire stains
Location: Madison, WI
Python client for accessing ChEMBL webservices.
project with Weiping Tang's lab using RDKit to enumerate acylhydrazone products from 5 building blocks and 380 aldehyde reactants
baseline IBR methods and metrics evals for all IBRs (including non-baselines)
code examples from PHMSCI 756 module 4: "working with HTS assay data"
Data mining pipeline to compile OXPHOS-related assays from PubChem, characterize OXPHOS-active chemotypes by cheminformatics analyses, and train classifiers to predict OXPHOS inhibitors
The official sources for the RDKit library
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout c0c3a3a after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
Sandbox for collaboration with git at UW Software Carpentry Bootcamps
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